S388-0426 Screening compound: 8-(2,5-dimethylbenzoyl)-2-(4-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

S388-0426 Screening compound: 8-(2,5-dimethylbenzoyl)-2-(4-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
S388-0426 Screening compound: 8-(2,5-dimethylbenzoyl)-2-(4-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S388-0426
8-(2,5-dimethylbenzoyl)-2-(4-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S388-0426

Molecular Formula

C21H23FN4O2 (C21 H23 FN4 O2)

Compound Name

8-(2,5-dimethylbenzoyl)-2-(4-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

IUPAC name

8-(25-dimethylbenzoyl)-2-(4-fluorophenyl)-1248-tetraazaspiro[4.5]decan-3-one

SMILES

Cc1cc(C(N(CC2)CCC2(NC2=O)NN2c(cc2)ccc2F)=O)c(C)cc1

InChI

InChI=1S/C21H23FN4O2/c1-14-3-4-15(2)18(13-14)19(27)25-11-9-21(10-12-25)23-20(28)26(24-21)17-7-5-16(22)6-8-17/h3-8,13,24H,9-12H2,1-2H3,(H,23,28)

InChI Key

KMYMKQWNJDJDJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-3.18

Polar Surface Area

57.511

Acid Dissociation Constant (pKa)

16.57

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S388-0426 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S388-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S388-0426?
Check Price and Availability of S388-0426, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S388-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S388-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S388-0426
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S388-0426 available by request